AF-399/40851319
TL;DR: AF-399/40851319 (CAS 379237-70-4) is a chemical compound with molecular formula C23H22ClN3O2S2 and molecular weight 471.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorobenzoyl)-3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)azepan-2-one
Also Known As: AF-399/40851319, 1-(4-chlorobenzoyl)-3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)azepan-2-one, F1174-0538, 1-(4-chlorobenzoyl)-3-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)azepan-2-one, 1-(4-chlorobenzoyl)-3-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}azepan-2-one
| Molecular Formula | C23H22ClN3O2S2 |
|---|---|
| Molecular Weight | 471.08 g/mol |
| LogP | 5.5371 |
| Topological Polar Surface Area | 63.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.0842 |
| Heavy Atoms | 31 |
| Complexity | 1145.6792 |
Chemical Identifiers
| CAS Number | 379237-70-4 |
|---|---|
| SMILES | C1CCN(C(=O)C(C1)SC2=NC=NC3=C2C4=C(S3)CCCC4)C(=O)C5=CC=C(C=C5)Cl |
Product Overview
AF-399/40851319 (CAS 379237-70-4), with molecular formula C23H22ClN3O2S2 and molecular weight 471.08 g/mol. IUPAC: 1-(4-chlorobenzoyl)-3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)azepan-2-one.
Chemical Property Profile of AF-399/40851319
Property Insights of AF-399/40851319
The XLogP value of 5.5371 indicates that AF-399/40851319 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40851319. Following Lipinski's Rule of Five, AF-399/40851319 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40851319?
The CAS number of AF-399/40851319 is 379237-70-4.
What is the molecular formula of AF-399/40851319?
The molecular formula of AF-399/40851319 is C23H22ClN3O2S2.
What is the molecular weight of AF-399/40851319?
The molecular weight of AF-399/40851319 is 471.08 g/mol.
Where can I buy AF-399/40851319?
You can request a quote for AF-399/40851319 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40851319?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40851319 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.